N-(3-methylbutyl)-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(3-methylbutyl)-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-benzyloxyphenyl)methyl]-N-isopentyl-piperidin-1-ium-4-carboxamide CAS Name: N-(3-methylbutyl)-1-[(3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(3-methylbutyl)-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-benzoxybenzyl)-N-isoamyl-piperidin-1-ium-4-carboxamide Formula: C25H35N2O2+ MolecularWeight: 395.5576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCNC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C25H34N2O2/c1-20(2)11-14-26-25(28)23-12-15-27(16-13-23)18-22-9-6-10-24(17-22)29-19-21-7-4-3-5-8-21/h3-10,17,20,23H,11-16,18-19H2,1-2H3,(H,26,28)/p+1